Chem
J-GLOBAL ID：201107081633875845   Nikkaji number：J2.929.300G

3,5-Bis[1-O,4-[(2-O,3-O,6-O-trimethyl-4-deoxy-α-D-glucopyranose-4,1-O-diyl)(2-O,3-O,6-O-trimethyl-4-deoxy-α-D-glucopyranose-4,1-O-diyl)(2-O,3-O,6-O-trimethyl-4-deoxy-α-D-glucopyranose-4,1-O-diyl)(2-O,3-O,6-O-trimethyl-4-deoxy-α-D-glucopyranose-4,1-O-diyl)(2-O,3-O,6-O-trimethyl-4-deoxy-α-D-glucopyranose-4,1-O-diyl)(2-O,3-O,6-O-trimethyl-4-deoxy-α-D-glucopyranose-4,1-O-diyl)]-6-O-methyl-2,4-dideoxy-α-D-glucopyranose-2-ylthiomethyl]pyridine

3,5-ビス[1-O,4-[(2-O,3-O,6-O-トリメチル-4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)(2-O,3-O,6-O-トリメチル-4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)(2-O,3-O,6-O-トリメチル-4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)(2-O,3-O,6-O-トリメチル-4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)(2-O,3-O,6-O-トリメチル-4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)(2-O,3-O,6-O-トリメチル-4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)]-6-O-メチル-2,4-ジデオキシ-α-D-グルコピラノース-2-イルチオメチル]ピリジン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C129H221NO68S2
Molecular formula furigana： C129-H221-N-O68-S2
Molecular weight： 2938.250
InChI： InChI=1S/C129H221NO68S2/c1-133-42-60-76-74(131)114(128(183-60)197-88-72(54-145-13)181-126(112(169-37)100(88)157-25)195-86-70(52-143-11)179-124(110(167-35)98(86)155-23)193-84-68(50-141-9)177-122(108(165-33)96(84)153-21)191-82-66(48-139-7)175-120(106(163-31)94(82)151-19)189-80-64(46-137-5)173-118(104(161-29)92(80)149-17)187-78-62(44-135-3)171-116(185-76)102(159-27)90(78)147-15)199-56-58-39-59(41-130-40-58)57-200-115-75(132)77-61(43-134-2)184-129(115)198-89-73(55-146-14)182-127(113(170-38)101(89)158-26)196-87-71(53-144-12)180-125(111(168-36)99(87)156-24)194-85-69(51-142-10)178-123(109(166-34)97(85)154-22)192-83-67(49-140-8)176-121(107(164-32)95(83)152-20)190-81-65(47-138-6)174-119(105(162-30)93(81)150-18)188-79-63(45-136-4)172-117(186-77)103(160-28)91(79)148-16/h39-41,60-129,131-132H,42-57H2,1-38H3/t60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74+,75+,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-/m1/s1
InChI key： FCRWGUFJAHKKJK-PPKAEZQDSA-N
SMILES： COC[C@H]1O[C@@H]2O[C@@H]3[C@@H](COC)O[C@H](O[C@@H]4[C@@H](COC)O[C@H](O[C@@H]5[C@@H](COC)O[C@H](O[C@@H]6[C@@H](COC)O[C@H](O[C@@H]7[C@@H](COC)O[C@H](O[C@@H]8[C@@H](COC)O[C@H](O[C@H]1[C@H](O)[C@H]2SCc1cncc(CS[C@H]2[C@@H]9O[C@H](COC)[C@@H](O[C@H]%10O[C@H](COC)[C@@H](O[C@H]%11O[C@H](COC)[C@@H](O[C@H]%12O[C@H](COC)[C@@H](O[C@H]%13O[C@H](COC)[C@@H](O[C@H]%14O[C@H](COC)[C@@H](O[C@H]%15O[C@H](COC)[C@@H](O9)[C@H](OC)[C@H]%15OC)[C@H](OC)[C@H]%14OC)[C@H](OC)[C@H]%13OC)[C@H](OC)[C@H]%12OC)[C@H](OC)[C@H]%11OC)[C@H](OC)[C@H]%10OC)[C@@H]2O)c1)[C@H](OC)[C@H]8OC)[C@H](OC)[C@H]7OC)[C@H](OC)[C@H]6OC)[C@H](OC)[C@H]5OC)[C@H](OC)[C@H]4OC)[C@H](OC)[C@H]3OC
Systematic name  (3)：
  • 3,5-ビス[1-O,4-[(2-O,3-O,6-O-トリメチル-4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)(2-O,3-O,6-O-トリメチル-4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)(2-O,3-O,6-O-トリメチル-4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)(2-O,3-O,6-O-トリメチル-4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)(2-O,3-O,6-O-トリメチル-4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)(2-O,3-O,6-O-トリメチル-4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)]-6-O-メチル-2,4-ジデオキシ-α-D-グルコピラノース-2-イルチオメチル]ピリジン
  • (1S,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-37-({[5-({[(1S,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-36-ヒドロキシ-38,39,40,41,42,43,44,45,46,47,48,49-ドデカメトキシ-5,10,15,20,25,30,35-ヘプタキス(メトキシメチル)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-テトラデカオキサオクタシクロ[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]ノナテトラコンタン-37-イル]スルファニル}メチル)ピリジン-3-イル]メチル}スルファニル)-38,39,40,41,42,43,44,45,46,47,48,49-ドデカメトキシ-5,10,15,20,25,30,35-ヘプタキス(メトキシメチル)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-テトラデカオキサオクタシクロ[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]ノナテトラコンタン-36-オール
  • (1S,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-37-({[5-({[(1S,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-36-hydroxy-38,39,40,41,42,43,44,45,46,47,48,49-dodecamethoxy-5,10,15,20,25,30,35-heptakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-37-yl]sulfanyl}methyl)pyridin-3-yl]methyl}sulfanyl)-38,39,40,41,42,43,44,45,46,47,48,49-dodecamethoxy-5,10,15,20,25,30,35-heptakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-36-ol
Other name (1)：
  • 3,5-Bis[1-O,4-[(2-O,3-O,6-O-trimethyl-4-deoxy-α-D-glucopyranose-4,1-O-diyl)(2-O,3-O,6-O-trimethyl-4-deoxy-α-D-glucopyranose-4,1-O-diyl)(2-O,3-O,6-O-trimethyl-4-deoxy-α-D-glucopyranose-4,1-O-diyl)(2-O,3-O,6-O-trimethyl-4-deoxy-α-D-glucopyranose-4,1-O-diyl)(2-O,3-O,6-O-trimethyl-4-deoxy-α-D-glucopyranose-4,1-O-diyl)(2-O,3-O,6-O-trimethyl-4-deoxy-α-D-glucopyranose-4,1-O-diyl)]-6-O-methyl-2,4-dideoxy-α-D-glucopyranose-2-ylthiomethyl]pyridine
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